3-chloro-6-ethoxy-N-ethyl-2-methylbenzamide

C12H16ClNO2 — CID 174825754

IUPAC3-chloro-6-ethoxy-N-ethyl-2-methylbenzamide
SMILESCCNC(=O)c1c(OCC)ccc(Cl)c1C
InChIInChI=1S/C12H16ClNO2/c1-4-14-12(15)11-8(3)9(13)6-7-10(11)16-5-2/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyDDEJSLVGYKZYHO-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.80
Rot. Bonds4

About 3-chloro-6-ethoxy-N-ethyl-2-methylbenzamide

3-chloro-6-ethoxy-N-ethyl-2-methylbenzamide (PubChem CID 174825754) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-chloro-6-ethoxy-N-ethyl-2-methylbenzamide.

Molecular Properties

Compound Name3-chloro-6-ethoxy-N-ethyl-2-methylbenzamide
PubChem CID174825754
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name3-chloro-6-ethoxy-N-ethyl-2-methylbenzamide
SMILESCCNC(=O)c1c(OCC)ccc(Cl)c1C
InChIInChI=1S/C12H16ClNO2/c1-4-14-12(15)11-8(3)9(13)6-7-10(11)16-5-2/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyDDEJSLVGYKZYHO-UHFFFAOYSA-N
XLogP2.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichloro-6-ethoxyphenyl)ethanone
CID 171007787
5-amino-2-ethoxy-N-ethylbenzamide
CID 28689994
2-(2,4-dichloro-3-methylphenoxy)-N-phenylacetamide
CID 15917895
1-[6-chloro-2-(difluoromethyl)-3-ethoxyphenyl]ethanone
CID 171002747
3-chloro-N-(3-chloro-2-methylphenyl)-4-ethoxybenzamide
CID 886779
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethoxynaphthalene-1-carboxamide
CID 43988802
3-chloro-6-methoxy-2-methylbenzamide
CID 171008578
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-ethoxy-3-methylbenzamide
CID 86938507
4-chloro-N-ethyl-3-methylbenzamide
CID 18712033
N-(3-chloro-2-methylphenyl)-2-ethoxybenzamide
CID 723566
ethyl 2-(2,4-dichloro-3-methylphenoxy)propanoate
CID 14721691

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-ethoxy-N-ethyl-2-methylbenzamide?
The IUPAC name of 3-chloro-6-ethoxy-N-ethyl-2-methylbenzamide (CID 174825754) is 3-chloro-6-ethoxy-N-ethyl-2-methylbenzamide.
What is the SMILES notation for 3-chloro-6-ethoxy-N-ethyl-2-methylbenzamide?
The canonical SMILES for 3-chloro-6-ethoxy-N-ethyl-2-methylbenzamide is CCNC(=O)c1c(OCC)ccc(Cl)c1C.
What is the InChIKey of 3-chloro-6-ethoxy-N-ethyl-2-methylbenzamide?
The InChIKey is DDEJSLVGYKZYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-4-14-12(15)11-8(3)9(13)6-7-10(11)16-5-2/h6-7H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 3-chloro-6-ethoxy-N-ethyl-2-methylbenzamide?
3-chloro-6-ethoxy-N-ethyl-2-methylbenzamide has a molecular weight of 241.72 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-ethoxy-N-ethyl-2-methylbenzamide is sourced from PubChem (CID 174825754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).